ethyl 5-aminopyridine-2-carboxylate

• ChemBase ID: 240547
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: n1c(C(=O)OCC)ccc(c1)N
• Canonical SMILES: CCOC(=O)c1ccc(cn1)N
• InChI: InChI=1S/C8H10N2O2/c1-2-12-8(11)7-4-3-6(9)5-10-7/h3-5H,2,9H2,1H3
• InChIKey: JOUCUZXFDZISMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-aminopyridine-2-carboxylate
• IUPAC Traditional name: ethyl 5-aminopyridine-2-carboxylate
• Synonyms: ethyl 5-aminopyridine-2-carboxylate

Database IDs

• MDL Number: MFCD09751106
• PubChem SID: 164296457
• PubChem CID: 13816714

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.47242603
• LogD (pH = 7.4): 0.4727782
• Log P: 0.47278267
• Molar Refractivity: 45.0034 cm^3
• Polarizability: 16.861292 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.64

Product Information

• Purity: 95%